2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid

C8H11N3O2 — CID 83619945

IUPAC2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid
SMILESCc1ncnc(NCC(=O)O)c1C
InChIInChI=1S/C8H11N3O2/c1-5-6(2)10-4-11-8(5)9-3-7(12)13/h4H,3H2,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyZTUAYJBTNHMZCP-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.59
Rot. Bonds3

About 2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid

2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid (PubChem CID 83619945) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid
PubChem CID83619945
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid
SMILESCc1ncnc(NCC(=O)O)c1C
InChIInChI=1S/C8H11N3O2/c1-5-6(2)10-4-11-8(5)9-3-7(12)13/h4H,3H2,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyZTUAYJBTNHMZCP-UHFFFAOYSA-N
XLogP0.59
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid (CID 83619945) is 2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid is Cc1ncnc(NCC(=O)O)c1C.
What is the InChIKey of 2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is ZTUAYJBTNHMZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-6(2)10-4-11-8(5)9-3-7(12)13/h4H,3H2,1-2H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid?
2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 83619945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).